Combined Screening and Optimization Approaches Enable Discovery of Highly Selective Kinase Inhibitors
Time: 11:00 am
day: Day 2
Details:
- Targeting kinases with specific small molecule inhibitors holds promise for treating diseases with high unmet medical need, but discovering such selective kinase inhibitors remains a major challenge
- Combined insights from biophysical, biochemical, cellular, and modeling studies, as well as structure-based design enabled the discovery of highly selective compounds with a suitable set of properties for a proof-of-concept study
- Unexpectedly, high selectivity was achievable despite the significant conservation of active site residues, suggesting a key role of dynamics and solvent effects in driving inhibitor selectivity
